Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1074
	Name:	2,2',3,4,5,5'-hexachloro-1,1'-biphenyl
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,4,5,5'-Hexachlorobiphenyl
	Labels:
	CAS:	52712-04-6
	InChi Code:	InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
5.95	experimental value
5.1554	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID6074174	US EPA CompTox Dashboard